public_id

FDB002813

IUPAC 名称

8-(2-hydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-one

描述

(s)-auraptenol belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one) (s)-auraptenol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-auraptenol can be found in citrus, which makes (s)-auraptenol a potential biomarker for the consumption of this food product.

CAS号

1221-43-8

异构

COC1=C(CC(O)C(C)=C)C2=C(C=CC(=O)O2)C=C1

InChI标识符

InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3

键

SQSRYWNOKPJENY-UHFFFAOYSA-N

平均分子量

260.104859

id

2813

含有化合物的食物

食物id	食物名称
57	Sweet orange